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Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory
Hungarian Academy of Sciences, Budapest, Hungary .
Hungarian Academy of Sciences, Budapest, Hungary; Eötvös University, Budapest, Hungary .
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, The Institute of Technology.
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2014 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 116, no 11, 113702-1-113702-5 p.Article in journal (Refereed) Published
Abstract [en]

We carried out Heyd-Scuseria-Ernzerhof hybrid density functional theory plane wave supercell calculations in wurtzite aluminum nitride in order to characterize the geometry, formation energies, transition levels, and hyperfine tensors of the nitrogen split interstitial defect. The calculated hyperfine tensors may provide useful fingerprint of this defect for electron paramagnetic resonance measurement.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2014. Vol. 116, no 11, 113702-1-113702-5 p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:liu:diva-112057DOI: 10.1063/1.4895843ISI: 000342837000020OAI: oai:DiVA.org:liu-112057DiVA: diva2:763874
Note

Funding Agencies|MTA Lendulet program of the Hungarian Academy of Sciences; Swedish Energy Agency; Swedish Foundation for Strategic Research (SSF); Knut and Alice Wallenberg Foundation; National Supercomputer Center in Sweden [SNIC 2013-1-331]; National Information Infrastructure Development Institute in Hungary

Available from: 2014-11-17 Created: 2014-11-13 Last updated: 2017-12-05Bibliographically approved

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Trinh, Xuan ThangSon, Nguyen TienJanzén, Erik

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